File name: Pandora55s1_QueensNY_20231226_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240113T074957.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c17p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20231226_L1_smca1c17d20220526p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20231226 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 262 404 Nominal wavelengths inside fitting window [nm]: 305.1320 305.2720 305.4120 305.5520 305.6920 305.8320 305.9719 306.1119 306.2518 306.3917 306.5317 306.6716 306.8115 306.9514 307.0912 307.2311 307.3709 307.5108 307.6506 307.7905 307.9303 308.0701 308.2099 308.3496 308.4894 308.6292 308.7689 308.9087 309.0484 309.1881 309.3278 309.4675 309.6072 309.7469 309.8866 310.0262 310.1659 310.3055 310.4451 310.5847 310.7243 310.8639 311.0035 311.1431 311.2827 311.4222 311.5618 311.7013 311.8408 311.9803 312.1198 312.2593 312.3988 312.5383 312.6777 312.8172 312.9566 313.0960 313.2355 313.3749 313.5143 313.6536 313.7930 313.9324 314.0717 314.2111 314.3504 314.4897 314.6291 314.7684 314.9077 315.0469 315.1862 315.3255 315.4647 315.6040 315.7432 315.8824 316.0216 316.1608 316.3000 316.4392 316.5783 316.7175 316.8566 316.9958 317.1349 317.2740 317.4131 317.5522 317.6913 317.8303 317.9694 318.1085 318.2475 318.3865 318.5255 318.6645 318.8035 318.9425 319.0815 319.2205 319.3594 319.4984 319.6373 319.7762 319.9151 320.0540 320.1929 320.3318 320.4707 320.6095 320.7484 320.8872 321.0260 321.1649 321.3037 321.4425 321.5812 321.7200 321.8588 321.9975 322.1363 322.2750 322.4137 322.5524 322.6911 322.8298 322.9685 323.1072 323.2458 323.3845 323.5231 323.6617 323.8003 323.9389 324.0775 324.2161 324.3547 324.4932 324.6318 324.7703 324.9089 --------------------------------------------------------------------------------------- Column 1: Two letter code of measurement routine Column 2: UT date and time for center-time of measurement, yyyymmddThhmmssZ (ISO 8601) Column 3: Fractional days since 1-Jan-2000 midnight for center-time of measurement Column 4: Routine count (1 for the first routine of the day, 2 for the second, etc.) Column 5: Repetition count (1 for the first set in the routine, 2 for the second, etc.) Column 6: Total duration of measurement set in seconds Column 7: Data processing type index Column 8: Solar zenith angle for center-time of measurement in degree Column 9: Solar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 10: Lunar zenith angle for center-time of measurement in degree Column 11: Lunar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 12: Pointing zenith angle in degree, absolute or relative (see next column), 999=tracker not used Column 13: Zenith pointing mode: zenith angle is... 0=absolute, 1=relative to sun, 2=relative to moon Column 14: Pointing azimuth in degree, increases clockwise, absolute (0=north) or relative (see next column), 999=tracker not used Column 15: Azimuth pointing mode: like zenith angle mode but also fixed scattering angles relative to sun (3) or moon (4) Column 16: Fitting result index: 0=no error or warning, 1, 2=warning, >2=error Column 17: Number of function evaluations used, 0=linear fitting or fitting not successful or no fitting done Column 18: rms of unweighted fitting residuals, -9=fitting not successful Column 19: Normalized rms of fitting residuals weighted with independent uncertainty, -9=fitting not successful or no uncertainty used Column 20: Expected rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 21: Expected normalized weighted rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 22: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 24: Structured uncertainty of ozone slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 25: Common uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 26: rms-based uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 27: Ozone effective temperature [K] Column 28: Independent uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 29: Structured uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 30: Common uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 31: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for ozone [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Sulfur dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 35: Structured uncertainty of sulfur dioxide slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 36: Common uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 37: rms-based uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 38: Sulfur dioxide effective temperature [K] Column 39: Independent uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 40: Structured uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 41: Common uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 42: Effective sulfur dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for sulfur dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 45: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 46: Lower limit used for wavelength scaling [nm] Column 47: Upper limit used for wavelength scaling [nm] Column 48: Order of smoothing polynomial Column 49: Smoothing polynomial coefficient, order 0 Column 50: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 51: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 52: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 53: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 54: Smoothing polynomial coefficient, order 1 Column 55: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 56: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 57: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 58: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 59: Smoothing polynomial coefficient, order 2 Column 60: Independent uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 61: Structured uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 62: Common uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 63: rms-based uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 64: Smoothing polynomial coefficient, order 3 Column 65: Independent uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 66: Structured uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 67: Common uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 68: rms-based uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 69: Mean value of measured data inside fitting window [same units as measurements] Column 70: Wavelength change polynomial coefficient, order 0 Column 71: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 72: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 76: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: L2Fit data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 78: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ1 limit, 0=L1 data quality above 0, 1=Spectral fitting was not successful, 2=Wavelength shift too large, 3=Normalized rms of fitting residuals weighted with independent uncertainty too large Column 79: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 80: L1 data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 81: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ1 limit, 0=Saturated data, 1=Too few dark counts measurements, 2=No temperature given or effective temperature too different from the reference temperature, 3=Dark count too high, 4=Unsuccessful dark background fitting, 5=The dark count differs significantly from the dark map for too many pixels, 6=Absolute value of estimated average residual stray light level too high, 7=Although attempted, no wavelength change could be retrieved, 8=Absolute value of retrieved wavelength shift too large, 9=Retrieved wavelength shift differs too much from the shift predicted by the effective temperature Column 82: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: Normalized slant column residuals weighted with independent instrumental uncertainty for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting, 0=no independent instrumental uncertainty was given --------------------------------------------------------------------------------------- SS 20231226T185049.6Z 8760.785297 492 1 50.44 2 69.44 208.13 106.01 28.69 0.00 1 0.00 1 0 25 2.034e-02 6.096e-03 3.989e-03 6.583e-04 4.002235e-01 3.373416e-04 4.792780e-03 -6.000000e+00 1.187364e-02 223.15 -2.00 3.51 -2.00 318.25 0.00e+00 2.639224e-04 6.452650e-05 1.982561e-04 -6.000000e+00 5.219587e-04 276.55 -2.00 20.00 -2.00 317.65 0.00e+00 2.818 0.000 302.00 328.00 3 1.7310e+00 8.9989e-04 3.4532e-02 -6.0000e+00 2.9227e-02 2.8885e-02 1.0222e-03 2.0269e-02 -6.0000e+00 3.1803e-02 -7.3561e-03 6.8613e-04 1.0118e-02 -6.0000e+00 1.8946e-02 -2.9903e-03 3.5815e-04 2.9580e-03 -6.0000e+00 8.0523e-03 3.4589e-03 1.5193e-04 2.0043e-05 3.6669e-05 -6.0000e+00 6.0993e-04 9.1544e-03 0.0000e+00 11 1 0 11 4 0 95.79 22.90 0.19 0.00915 0.01030 249 47 1 5 0 202.530 26.21 19.96 22.90 18.40 35.5 1015.18 -9596 1888 -12213 -5315 -6566 -5033 -36 -4009 -4268 -7802 -3579 -3059 -2565 484 -731 -2248 -3609 1926 776 137 426 1484 -445 300 -727 751 -1398 -46 -541 1345 1895 1537 -1613 -539 1382 -281 -418 315 -377 -1606 -1037 -1500 -999 -822 -268 -916 -383 -334 538 831 603 566 1198 1045 652 1002 474 689 738 1369 1374 1314 523 -370 5 495 464 1273 1000 125 -190 -532 -499 -637 -186 328 865 1339 114 -96 -502 -1482 -1390 -1183 -1241 -945 -591 -407 -484 -62 410 578 1376 1454 1227 842 733 -293 -533 -493 -537 -100 653 -118 -923 -415 -822 -150 37 16 -281 -134 -79 37 533 834 786 504 -167 -639 -445 -310 -315 31 99 364 1373 955 357 608 60 352 219 248 -320 -152 142 -396 -466 -297 -174 -235 169 -488 92 -678 -258 -304 -234 -2 -232 -270 -534 -247 -234 -231 47 -83 -286 -499 267 114 21 66 232 -74 54 -131 136 -254 -8 -98 250 365 332 -388 -129 317 -67 -112 95 -136 -635 -445 -645 -440 -365 -119 -411 -170 -149 240 387 303 294 662 611 398 598 289 415 459 847 845 878 368 -280 4 355 319 881 758 102 -162 -470 -436 -530 -148 247 627 958 85 -78 -445 -1411 -1368 -1232 -1326 -1072 -677 -477 -563 -72 440 594 1374 1451 1269 940 886 -383 -715 -657 -697 -123 782 -139 -1172 -537 -1086 -207 53 24 -435 -213 -123 57 777 1151 1114 718 -246 -994 -680 -480 -473 46 141 511 1897 1293 504 903 92 567 355 420 -559 -270 260 -722 -854 -547 -307 -408 292 SS 20231226T185756.9Z 8760.790241 496 1 50.52 2 70.09 209.73 105.37 30.11 0.00 1 0.00 1 0 25 5.030e-02 7.314e-03 8.878e-03 1.246e-03 4.098619e-01 6.387839e-04 4.888639e-03 -6.000000e+00 2.936312e-02 223.15 -2.00 3.51 -2.00 318.44 0.00e+00 4.889727e-04 1.294449e-04 2.564838e-04 -6.000000e+00 1.290949e-03 276.55 -2.00 20.00 -2.00 317.84 0.00e+00 2.905 0.000 302.00 328.00 3 2.8652e+00 1.7136e-03 3.5520e-02 -6.0000e+00 7.2277e-02 3.5335e-02 1.9532e-03 2.0817e-02 -6.0000e+00 7.8654e-02 -8.6818e-03 1.3486e-03 1.0387e-02 -6.0000e+00 4.6856e-02 -1.5929e-03 7.0821e-04 3.0875e-03 -6.0000e+00 1.9910e-02 1.0072e-03 1.0016e-04 3.7985e-05 3.7278e-05 -6.0000e+00 1.5086e-03 1.0432e-02 0.0000e+00 11 9 0 11 4 0 99.88 22.87 0.25 0.01043 0.01118 71 13 1 5 0 711.360 26.21 20.02 22.87 18.67 35.6 1015.68 -22663 23220 -24545 -7677 4854 -13787 19926 -1914 -1009 -15552 -3120 -11838 -8768 6946 -727 -5649 -14647 9153 3095 4286 921 3593 -5461 818 -1888 6601 -1778 -2004 -3337 -449 3044 8 -945 -1701 5265 -1612 -1699 1078 402 -2223 -914 -2123 -1924 -379 404 -1245 278 750 1296 740 271 -196 2723 1616 1006 1169 833 999 685 1258 2384 1172 149 36 -586 629 130 1387 735 -299 -96 -188 -904 175 -180 469 1070 1012 -55 -925 -30 -1461 -1309 -1655 -1263 -1057 -607 -774 -420 -103 78 1051 1445 1565 964 602 508 -51 -416 -368 -711 -246 963 -75 -683 -633 -769 -113 351 92 -383 -182 -101 -50 458 726 939 485 -303 -871 -328 -86 -69 162 -28 -6 1308 901 318 708 250 360 239 272 -302 57 206 -371 -609 -286 -248 -107 -103 -1107 795 -1303 -329 176 -609 709 -93 -53 -975 -183 -838 -708 571 -73 -652 -1958 1045 392 553 125 481 -831 126 -314 1045 -298 -326 -542 -74 538 2 -204 -375 1066 -355 -415 299 130 -821 -359 -876 -813 -159 170 -532 117 316 554 329 128 -99 1423 891 574 684 494 588 400 733 1422 749 102 26 -426 439 89 951 539 -239 -81 -162 -778 145 -141 343 740 699 -40 -748 -26 -1382 -1299 -1710 -1356 -1181 -698 -905 -488 -117 84 1076 1423 1544 1003 674 613 -65 -557 -492 -918 -301 1129 -89 -850 -819 -1026 -156 499 138 -596 -288 -159 -75 668 1026 1321 699 -455 -1348 -510 -132 -105 240 -40 -8 1789 1242 458 1074 396 585 397 462 -532 102 378 -690 -1140 -527 -447 -187 -179 SS 20231226T190339.0Z 8760.794202 499 1 50.45 2 70.63 210.99 104.84 31.23 0.00 1 0.00 1 0 25 4.391e-02 6.738e-03 8.506e-03 1.110e-03 4.212243e-01 5.696204e-04 5.018926e-03 -6.000000e+00 2.563529e-02 223.15 -2.00 3.51 -2.00 318.54 0.00e+00 4.198680e-04 1.190142e-04 2.499495e-04 -6.000000e+00 1.127074e-03 276.55 -2.00 20.00 -2.00 317.94 0.00e+00 2.981 0.000 302.00 328.00 3 2.5484e+00 1.5325e-03 3.6479e-02 -6.0000e+00 6.3101e-02 3.6104e-02 1.7508e-03 2.1400e-02 -6.0000e+00 6.8669e-02 -7.0267e-03 1.2299e-03 1.0692e-02 -6.0000e+00 4.0908e-02 -3.4790e-03 6.4767e-04 3.1667e-03 -6.0000e+00 1.7382e-02 1.2657e-03 1.0424e-04 3.3768e-05 3.8283e-05 -6.0000e+00 1.3171e-03 1.0617e-02 0.0000e+00 11 9 0 11 4 0 99.65 22.86 0.24 0.01062 0.01140 96 18 1 5 0 525.420 26.21 20.02 22.86 18.40 35.5 1013.01 -19618 23126 -23061 -4195 -2885 -9680 7505 -4138 -8239 -16594 -8779 -9674 -10466 6017 -550 -6690 -1972 6458 4643 1460 1920 681 -5365 -1597 -2201 6321 -2468 -1756 -3509 2060 1278 1031 -2737 -1472 3598 -1101 -1219 1019 358 -2034 -611 -2184 -1193 -1021 759 -1428 552 -99 936 589 233 352 1857 1775 825 1380 485 694 946 1371 1815 1071 130 -319 -557 703 288 1298 1044 -228 157 -214 -759 -132 -231 383 1243 1214 -227 -290 -545 -1406 -1249 -1331 -1253 -1190 -703 -567 -317 -116 585 801 1502 1427 1288 668 745 -275 -503 -436 -591 -226 636 -42 -976 -486 -877 -126 159 131 -387 -147 -33 -10 414 775 905 460 -100 -764 -356 -214 -172 -13 14 425 1185 944 245 598 169 391 242 354 -334 -56 141 -473 -553 -412 -142 -133 176 -841 717 -1090 -158 -102 -373 272 -188 -422 -959 -497 -618 -791 461 -51 -726 -219 705 540 180 241 88 -765 -235 -345 945 -393 -269 -540 315 218 196 -574 -309 709 -231 -284 272 111 -722 -231 -871 -483 -417 308 -592 226 -41 390 255 107 173 952 955 461 789 282 402 539 780 1064 672 88 -226 -399 483 194 878 755 -180 130 -182 -644 -108 -179 277 847 828 -165 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